3-[(3S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide

C20H28N4O3 — CID 97274583

About 3-[(3S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide

3-[(3S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide (PubChem CID 97274583) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-[(3S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide.

Molecular Properties

• Compound Name: 3-[(3S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
• PubChem CID: 97274583
• Molecular Formula: C20H28N4O3
• Molecular Weight: 372.47 g/mol
• Exact Mass: 372.22
• IUPAC Name: 3-[(3S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
• SMILES: CCc1nc(N2CCC[C@@H](CCC(=O)Nc3ccc(OC)cc3C)C2)no1
• InChI: InChI=1S/C20H28N4O3/c1-4-19-22-20(23-27-19)24-11-5-6-15(13-24)7-10-18(25)21-17-9-8-16(26-3)12-14(17)2/h8-9,12,15H,4-7,10-11,13H2,1-3H3,(H,21,25)/t15-/m0/s1
• InChIKey: RQPYZFNSXFFOBR-HNNXBMFYSA-N
• XLogP: 3.58
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.47
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide?

The IUPAC name of 3-[(3S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide (CID 97274583) is 3-[(3S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide.

What is the SMILES notation for 3-[(3S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide?

The canonical SMILES for 3-[(3S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide is CCc1nc(N2CCC[C@@H](CCC(=O)Nc3ccc(OC)cc3C)C2)no1.

What is the InChIKey of 3-[(3S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide?

The InChIKey is RQPYZFNSXFFOBR-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-4-19-22-20(23-27-19)24-11-5-6-15(13-24)7-10-18(25)21-17-9-8-16(26-3)12-14(17)2/h8-9,12,15H,4-7,10-11,13H2,1-3H3,(H,21,25)/t15-/m0/s1.

What are the key properties of 3-[(3S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide?

3-[(3S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide has a molecular weight of 372.47 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide is sourced from PubChem (CID 97274583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).